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(22S)-22-hydroxysitosterol

PropertiesImage
MNX_IDMNXM13512 Image of MNXM13512
referencechebi:187980
formulaC29H50O2
global charge0
mol weight430.717
InChIKeyYCZQDKIUGZGCAN-REJZWNMHSA-N
InChIInChI=1S/C29H50O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,18-20,22-27,30-31H,7,9-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28-,29+/m0/s1
SMILESCC[C@H](C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/C29H50O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,18-20,22-27,30-31H,7,9-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28-,29+/m0/s1 Image of MNXM13512
SMILES (mnx)[CH3:1][CH2:7][C@H:20]([CH2:16][C@@H:27]([C@@H:19]([CH3:4])[C@H:24]1[CH2:10][CH2:11][C@H:25]2[C@@H:23]3[CH2:9][CH:8]=[C:21]4[CH2:17][C@@H:22]([OH:30])[CH2:12][CH2:14][C@:28]4([CH3:5])[C@H:26]3[CH2:13][CH2:15][C@:29]12[CH3:6])[OH:31])[CH:18]([CH3:2])[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:187980
chebi:187980
YCZQDKIUGZGCAN-REJZWNMHSA-N 		(22S)-22-hydroxysitosterol
(1R,3aS,3bS,7S,9aR,9bS,11aS)-1-[(2S,3S,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
(22S)-hydroxysitosterol
(22S)-stigmast-5-ene-3beta,22-diol
22-OH-sitosterol
22S-hydroxysitosterol
stigmast-5-en-3beta,22S-diol

metacyc.compound:CPD-7190
metacycM:CPD-7190
YCZQDKIUGZGCAN-REJZWNMHSA-N 		(22S)-22-hydroxy-sitosterol
(22alpha)-hydroxy-sitosterol
22-OH-SIT
22-OH-sitosterol

seed.compound:cpd24744
seedM:cpd24744
YCZQDKIUGZGCAN-REJZWNMHSA-N 		(22alpha)-hydroxy-sitosterol
22-OH-SIT
22-OH-sitosterol

lipidmaps:LMST01040195
lipidmapsM:LMST01040195
YCZQDKIUGZGCAN-REJZWNMHSA-N 		22S-hydroxysitosterol
O2
ST 29:1
stigmast-5-en-3beta,22S-diol

seedM:M_cpd24744 		secondary/obsolete/fantasy identifier